(6-fluoro-1,3-benzoxazol-2-yl)methanol

• ChemBase ID: 238553
• Molecular Formular: C8H6FNO2
• Molecular Mass: 167.1371432
• Monoisotopic Mass: 167.03825666
• SMILES: n1c(oc2c1ccc(c2)F)CO
• Canonical SMILES: OCc1nc2c(o1)cc(cc2)F
• InChI: InChI=1S/C8H6FNO2/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2
• InChIKey: CFCIMGDSLBUEQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-fluoro-1,3-benzoxazol-2-yl)methanol
• IUPAC Traditional name: (6-fluoro-1,3-benzoxazol-2-yl)methanol
• Synonyms: (6-fluoro-1,3-benzoxazol-2-yl)methanol

Database IDs

• MDL Number: MFCD22375409
• PubChem SID: 164294463
• PubChem CID: 71756191

CALCULATED PROPERTIES

• Polarizability: 15.977343 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 13.069545
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.76838374
• LogD (pH = 7.4): 0.7683831
• Log P: 0.76838404
• Molar Refractivity: 39.0824 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.583

Product Information

• Purity: 95%